Analytical Calculation of Geometrical Derivatives in Molecular Electronic Structure Theory
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Publisher
Elsevier
Reference83 articles.
1. Adamowicz, L., Laidig, W. D., and Bartlett, R. J. (1984). Int. J. Quantum Chem., Quantum Chem. Symp. No. 18, 245.
2. CADPAC: The Cambridge Analytic Derivative Package;Amos,1984
3. Dipole moment derivatives of H2O and H2S
4. Molecular Property Derivatives
5. A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systems
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